N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

C20H24N4O3 — CID 49055001

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C20H24N4O3/c25-19(10-14-5-6-18-15(9-14)7-8-27-18)23-17-11-21-24(12-17)13-20(26)22-16-3-1-2-4-16/h5-6,9,11-12,16H,1-4,7-8,10,13H2,(H,22,26)(H,23,25)
InChIKeyPLGDKGWUOFHJMF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.06
Rot. Bonds6

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 49055001) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID49055001
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C20H24N4O3/c25-19(10-14-5-6-18-15(9-14)7-8-27-18)23-17-11-21-24(12-17)13-20(26)22-16-3-1-2-4-16/h5-6,9,11-12,16H,1-4,7-8,10,13H2,(H,22,26)(H,23,25)
InChIKeyPLGDKGWUOFHJMF-UHFFFAOYSA-N
XLogP2.06
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-(1-acetylpiperidin-4-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 55446267
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110774382
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770827
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17493168
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]prop-2-enamide
CID 49055329
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 49055001) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is O=C(Cc1ccc2c(c1)CCO2)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is PLGDKGWUOFHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(10-14-5-6-18-15(9-14)7-8-27-18)23-17-11-21-24(12-17)13-20(26)22-16-3-1-2-4-16/h5-6,9,11-12,16H,1-4,7-8,10,13H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 49055001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).